CCOC(=O)C1=NC=CN1CC2=CC=CC=C2
CAS: 865998-45-4
Name: ethyl 1-benzylimidazole-2-carboxylate
SMILES: CCOC(=O)C1=NC=CN1CC2=CC=CC=C2

Molecular Processing

Molecular formula
C13H14N2O2
Molecular weight
230.27
Exact mass
230.1055
XLogP
2.11
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
63.73

Supplementary Information

InChIKey: IKHCKQVOPBTOEG-UHFFFAOYSA-N
Synonyme
865998-45-4ethyl 1-benzyl-1H-imidazole-2-carboxylateDTXSID90653842RefChem:342020DTXCID50604592960-658-8Ethyl 1-benzylimidazole-2-carboxylateMFCD11857953SCHEMBL1593910IKHCKQVOPBTOEG-UHFFFAOYSA-NQJB99845Ethyl1-benzylimidazole-2-carboxylateAC2261AKOS016002116AC-27130CS-11302SY014808DB-023562EN300-42762F822775Z431551008
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